SCHEMBL24650224

SCHEMBL24650224

CC(C)Nc1nccc(C(C)(C)C)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 2/20 0.47
▸ HRH4 Q9H3N8 4/20 0.46
▸ MAPK8 P45983 3/20 0.45
▸ IDH1 O75874 4/20 0.40
▸ IDH2 P48735 2/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ LCK P06239 1/20 0.40
▸ CSF1R P07333 1/20 0.40
▸ PDGFRB P09619 1/20 0.40
▸ MAP2K2 P36507 1/20 0.40
▸ CDK7 P50613 1/20 0.40
▸ MAPK9 P45984 3/20 0.38
▸ MAPK10 P53779 3/20 0.38
▸ GAA P10253 2/20 0.37
▸ KCNH3 Q9ULD8 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PLK1 P53350 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12411108 0.86 IDH1 (0.50) SYKHRH4MAPK8IDH1IDH2
SCHEMBL10219318 0.84 HTR7 (0.53) SYKIDH1LCKMEN1KMT2A
SCHEMBL8000248 0.84 IDH1 (0.53) SYKHRH4MAPK8IDH1IDH2
SCHEMBL84157 0.79 SYK (0.50) SYKCDK7MAPK9MEN1ALDH1A1
SCHEMBL15181297 0.77 HRH4 (0.51) SYKHRH4IDH1ACACB
SCHEMBL18898329 0.76 MAPK8 (0.39) SYKHRH4MAPK8IDH1IDH2
SCHEMBL91488 0.75 HRH4 (0.50) HRH4MAPK8ABL1LCKCSF1R
SCHEMBL2844731 0.75 ABL1 (0.52) HRH4MAPK8ABL1LCKCSF1R
SCHEMBL14999425 0.73 HRH4 (0.49) HRH4MAPK8ABL1LCKCSF1R
SCHEMBL3674951 0.73 HRH4 (0.49) HRH4MAPK8ABL1LCKCSF1R

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11466013-B2 ERK inhibitor and use thereof BETTA PHARMACEUTICALS CO., LTD (CN) 2022-10-11 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11466013-B2 ERK inhibitor and use thereof MAPK1, MAPK4, MAPK7 SYK 487/4885HRH4 4245/4885MAPK8 13/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback